3-bromo-N-(2-morpholin-4-ylethyl)quinolin-8-amine

C15H18BrN3O — CID 116784312

IUPAC3-bromo-N-(2-morpholin-4-ylethyl)quinolin-8-amine
SMILESBrc1cnc2c(NCCN3CCOCC3)cccc2c1
InChIInChI=1S/C15H18BrN3O/c16-13-10-12-2-1-3-14(15(12)18-11-13)17-4-5-19-6-8-20-9-7-19/h1-3,10-11,17H,4-9H2
InChIKeyXAVWFGYZJZUOAS-UHFFFAOYSA-N
MW336.23 g/mol
LogP2.74
Rot. Bonds4

About 3-bromo-N-(2-morpholin-4-ylethyl)quinolin-8-amine

3-bromo-N-(2-morpholin-4-ylethyl)quinolin-8-amine (PubChem CID 116784312) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 3-bromo-N-(2-morpholin-4-ylethyl)quinolin-8-amine.

Molecular Properties

Compound Name3-bromo-N-(2-morpholin-4-ylethyl)quinolin-8-amine
PubChem CID116784312
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name3-bromo-N-(2-morpholin-4-ylethyl)quinolin-8-amine
SMILESBrc1cnc2c(NCCN3CCOCC3)cccc2c1
InChIInChI=1S/C15H18BrN3O/c16-13-10-12-2-1-3-14(15(12)18-11-13)17-4-5-19-6-8-20-9-7-19/h1-3,10-11,17H,4-9H2
InChIKeyXAVWFGYZJZUOAS-UHFFFAOYSA-N
XLogP2.74
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromoquinolin-8-yl)amino]-1-morpholin-4-ylethanone
CID 116784204
6-N-(2-morpholin-4-ylethyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112857696
3-bromo-N-(3-ethoxypropyl)quinolin-8-amine
CID 116784215
3-bromo-N-[(3-methyltriazol-4-yl)methyl]quinolin-8-amine
CID 116783474
2,3-dichloro-N-(2-morpholin-4-ylethyl)aniline
CID 28774944
6-N-(2-morpholin-4-ylethyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144827
3-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinolin-8-amine
CID 116783312
7-bromo-3-(2-morpholin-4-ylethylamino)pyrido[1,2-a]pyrimidin-4-one
CID 118613302
3-bromo-N-[(3,4-difluorophenyl)methyl]quinolin-8-amine
CID 116783370
6-methyl-2-(2-morpholin-4-ylethylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109325286
4-bromo-2,3-dichloro-N-(2-morpholin-4-ylethyl)aniline
CID 107789141
3-bromo-N-[(3-ethylimidazol-4-yl)methyl]quinolin-8-amine
CID 116783174

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-morpholin-4-ylethyl)quinolin-8-amine?
The IUPAC name of 3-bromo-N-(2-morpholin-4-ylethyl)quinolin-8-amine (CID 116784312) is 3-bromo-N-(2-morpholin-4-ylethyl)quinolin-8-amine.
What is the SMILES notation for 3-bromo-N-(2-morpholin-4-ylethyl)quinolin-8-amine?
The canonical SMILES for 3-bromo-N-(2-morpholin-4-ylethyl)quinolin-8-amine is Brc1cnc2c(NCCN3CCOCC3)cccc2c1.
What is the InChIKey of 3-bromo-N-(2-morpholin-4-ylethyl)quinolin-8-amine?
The InChIKey is XAVWFGYZJZUOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c16-13-10-12-2-1-3-14(15(12)18-11-13)17-4-5-19-6-8-20-9-7-19/h1-3,10-11,17H,4-9H2.
What are the key properties of 3-bromo-N-(2-morpholin-4-ylethyl)quinolin-8-amine?
3-bromo-N-(2-morpholin-4-ylethyl)quinolin-8-amine has a molecular weight of 336.23 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-morpholin-4-ylethyl)quinolin-8-amine is sourced from PubChem (CID 116784312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).